1-(1-bromanylhexadecan-2-yl)pyridin-1-ium bromide

Systemtic Name: 1-(1-bromanylhexadecan-2-yl)pyridin-1-ium bromide Openeye Name: 1-[1-(bromomethyl)pentadecyl]pyridin-1-ium bromide CAS Name: 1-(1-bromohexadecan-2-yl)pyridin-1-ium bromide IUPAC Name: 1-(1-bromohexadecan-2-yl)pyridin-1-ium bromide Traditional Name: 1-[1-(bromomethyl)pentadecyl]pyridin-1-ium bromide Formula: C21H37Br2N MolecularWeight: 463.33318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CBr)[N+]1=CC=CC=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCC(CBr)[N+]1=CC=CC=C1.[Br-]

InChI

InChI=1S/C21H37BrN.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-21(20-22)23-18-15-13-16-19-23;/h13,15-16,18-19,21H,2-12,14,17,20H2,1H3;1H/q+1;/p-1